Details of the Drug

General Information of Drug (ID: DMJ81M3)

Drug Name

(4-benzylpiperidin-1-yl)(p-tolyl)methanone

Synonyms

N-(4-Methylbenzoyl)-4-Benzylpiperidine; 4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine; piperidine, b3; BAS 00804661; AC1LR0DT; Oprea1_533510; Oprea1_593272; CHEMBL240530; BDBM25792; MolPort-000-214-461; HMS3604C03; ZINC1295794; STK003473; AKOS000595364; MCULE-3623165331; DB07123; 4-methylphenyl 4-benzylpiperidyl ketone; 4-benzyl-1-(4-methylbenzoyl)piperidine; ST50324491; (4-benzylpiperidino)(4-methylphenyl)methanone; (4-Benzyl-piperidin-1-yl)-p-tolyl-methanone; AB00081647-01; N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

293.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C20H23NO
IUPAC Name: (4-benzylpiperidin-1-yl)-(4-methylphenyl)methanone
Canonical SMILES: CC1=CC=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3
InChI: InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKey: DVOLWKZEIDCCES-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1415427
DrugBank ID: DB07123
TTD ID: D08AFZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Fatty acid synthetase I (Bact inhA)	TTVTX4N	INHA_MYCTU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.